C880-2195 Screening compound: ethyl 1-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound C880-2195
ethyl 1-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
C880-2195
Molecular Formula
C27H27FN4O4 (C27 H27 FN4 O4)
Compound Name
ethyl 1-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate
IUPAC name
ethyl 1-(2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetyl)piperidine-3-carboxylate
SMILES
CCOC(C(CCC1)CN1C(CN(C1=O)N=Cc2c1n(Cc(cc1)ccc1F)c1c2cccc1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
490.53
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.231
Distribution Coefficient, logD
3.231
Water Solubility, LogSw
-3.11
Polar Surface Area
66.151
Acid Dissociation Constant (pKa)
18.87
Base Dissociation Constant (pKb)
0.93
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
C880-2195 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anticancer Library (62698 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
New Agro Library (44492 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Agro
References: we are preparing a list of scientific research reports with C880-2195 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)